MolNFT v1 · #96682 · protein
Crystal structure of UBC7P in complex with the U7BR of CUE1P
4JQU · Ubiquitin-conjugating enzyme E2 7: “Crystal structure of UBC7P in complex with the U7BR of CUE1P”. X-ray diffraction, 3 pockets (best druggability 0.48). MolNFT v1 #96682 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4JQU
- Type
- protein
- Length
- 217 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ubiquitin-conjugating enzyme E2 7; Coupling of ubiquitin conjugation to er degradation…
- EC
- 6.3.2.19
- UniProt
- Q02159, P38428
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ubiquitin-conjugating enzyme E2 7 (EC 6.3.2.19) | protein | 163 | 39% helix, 19% strand | Q02159 |
| B | Coupling of ubiquitin conjugation to er degradation protein 1 | protein | 54 | 63% helix, 0% strand | P38428 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.48 | 0.83 | 18 | empty |
| 2 | 55 | 0.38 | 0.80 | 13 | PEG |
| 3 | 93 | 0.37 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1083 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4JQU · Crystal structure of Ubc7p in complex with the U7BR of Cue1p · the same entry in another collection · chain A against A, TM-score 1.00
- P38428 · AlphaFold monomer V2.0 prediction for coupling of ubiquitin conjugation to er degradation… · a predicted model of the same protein · chain B against A, TM-score 0.97
- Q02159 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 7 (Q02159) · a predicted model of the same protein · chain A against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q02159
- Every structure of UniProt P38428
- Elsewhere: RCSB PDB 4JQU · PDBe 4JQU · UniProt Q02159 · UniProt P38428
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